Changeset 0e2a47

Timestamp:

Feb 25, 2010, 10:32:14 AM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

d2dbac0

Parents:

f16a4b

Message:

Added overloaded methods for all methods in the world taking an AtomDescriptor

Location:

src

Files:

• World.cpp (modified) (2 diffs)
• World.hpp (modified) (3 diffs)
• World_calculations.hpp (modified) (1 diff)

src/World.cpp

@@ -30 +30 @@
 }
 
+vector<atom*> World::getAllAtoms(){
+  return getAllAtoms(AllAtoms());
+}
+
 int World::numAtoms(){
   return atoms.size();
@@ -86 +90 @@
 }
 
+ManipulateAtomsProcess* World::manipulateAtoms(boost::function<void(atom*)> op,std::string name){
+  return manipulateAtoms(op,name,AllAtoms());
+}
+
 /********************* Internal Change methods for double Callback and Observer mechanism ********/
 

src/World.hpp

@@ -61 +61 @@
    */
   std::vector<atom*> getAllAtoms(AtomDescriptor descriptor);
+  std::vector<atom*> getAllAtoms();
 
   /**
@@ -67 +68 @@
    * menus, be kept around for later use etc.
    */
-  template<typename T>
-  AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string,AtomDescriptor);
+  template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string,AtomDescriptor);
+  template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string);
 
   /**
@@ -117 +118 @@
    */
   ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor);
+  ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string);
 
 protected:

src/World_calculations.hpp

@@ -18 +18 @@
 }
 
+template<typename T>
+AtomsCalculation<T>* World::calcOnAtoms(boost::function<T(atom*)> op,std::string name) {
+  return calcOnAtoms<T>(op,name,AllAtoms());
+}
+
 #endif /* WORLD_CALCULATIONS_HPP_ */